Geometry & MOs

Info

ID:	383621
PubChem CID:	134975435
Reduced:	ClS2O4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	26.38
Dipole, Da:	7.24
IP(EA), eV:	-9.23(-4.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-benzyl-5-oxo-4H-1,2-oxazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(S2)(C)OCl(=O)(=O)=O

DOS

IR

Vibrations